Geometry & MOs

Info

ID:	236929
PubChem CID:	92716322
Reduced:	ON5C22H33 (1)
Stoich.:	AB5C22D33 (1)
Weight, g/mol:	470.24819
ΔH_f, kcal/mol:	-22.09
Dipole, Da:	8.35
IP(EA), eV:	-8.21(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]-N-[(2S)-2-phenylpropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCCN1CCCNC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4N3

DOS

IR

Vibrations